SCHEMBL6076483

SCHEMBL6076483

Cc1c(-c2ccccc2)sc2ccc(Cl)cc12

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 8/20 0.72
▸ KDM4E B2RXH2 1/20 0.46
▸ IDO1 P14902 1/20 0.43
▸ CYP2A6 P11509 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PFKFB4 Q16877 3/20 0.41
▸ PFKFB3 Q16875 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ DHODH Q02127 1/20 0.39
▸ AKR1B1 P15121 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3939520 0.84 ROCK1 (1.00) ROCK1KDM4ECYP2A6NPSR1L3MBTL1
SCHEMBL10745872 0.80 ROCK1 (0.48) ROCK1KDM4EIDO1L3MBTL1PFKFB4
SCHEMBL2824154 0.80 ROCK1 (0.56) ROCK1PFKFB4PFKFB3MAPT
SCHEMBL2826864 0.80 ROCK1 (0.56) ROCK1KDM4ENPSR1L3MBTL1PFKFB4
SCHEMBL11560607 0.80 ROCK1 (0.48) ROCK1KDM4EIDO1CYP2A6MAPT
SCHEMBL4262796 0.78 ROCK1 (0.49) ROCK1L3MBTL1
SCHEMBL11531784 0.77 ROCK1 (0.46) ROCK1KDM4EIDO1CYP2A6MAPT
Hydrochloric Acid SCHEMBL27553020 0.77 ROCK1 (0.46) ROCK1KDM4EIDO1CYP2A6
SCHEMBL14311003 0.77 ROCK1 (0.76) ROCK1CYP2A6NPSR1L3MBTL1MAPT
SCHEMBL5094432 0.77 ROCK1 (0.76) ROCK1KDM4ECYP2A6NPSR1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7126012-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-24 — — US disclosed
US-7115752-B2 Substituted cyclic compounds LES LABORATOIRES SERVIER (FR) 2006-10-03 — — US disclosed
US-20050124682-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-06-09 — — US disclosed
US-6872851-B1 Substituted cyclic compounds, preparation method and pharmaceutical compositions containing them LES LABORATORIES SERVIER (FR) 2005-03-29 — — US disclosed
US-20050059729-A1 Substituted cyclic compounds LESIEUR DANIEL (FR) 2005-03-17 — — US disclosed
EP-1077927-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 — — EP disclosed
WO-1999058495-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 — — WO disclosed
US-4137414-A NEUROLEPTICS, BACTERICIDES G. D. SEARLE & CO. (US) 1979-01-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050059729-A1 Substituted cyclic compounds CCNY, CCNT2, TECR ROCK1 1089/4885KDM4E 1740/4885IDO1 2561/4885
US-20050124682-A1 Substituted cyclic compounds CCNY, CCNT2, TECR ROCK1 1089/4885KDM4E 1740/4885IDO1 2561/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback